In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019FW8 |
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Common Name | PIP[4'](14:1(9Z)/12:0) |
Systematic Name | 1-(9Z-tetradecenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-4-phosphate |
Synonyms | PIP[4'](26:1); PIP(12:0_14:1) |
Exact Mass | |
Formula | C35H66O16P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Diacylglycerophosphoinositol monophosphates [GP0701] |
PubChem Compound ID (CID) | - |
InChIKey | XEAUSBMJDSANQK-LVAGIFCOSA-N |
InChI | InChI=1S/C35H66O16P2/c1-3-5-7-9-11-13-14-16-17-19-21-23-28(36)47-25-27(49-29(37) 24-22-20-18-15-12-10-8-6-4-2)26-48-53(45,46)51-35-32(40)30(38)34(31(39)33(35)41) 50-52(42,43)44/h9,11,27,30-35,38-41H,3-8,10,12-26H2,1-2H3,(H,45,46)(H2,42,43,44) /b11-9-/t27-,30+,31?,32?,33?,34?,35-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O) COC(CCCCCCC/C=C\CCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |